4-(cyclopropylmethyl)-1-methyl-9-pyrazin-2-yl-1,4,9-triazaspiro[5.5]undecan-5-one

C17H25N5O — CID 97398727

IUPAC4-(cyclopropylmethyl)-1-methyl-9-pyrazin-2-yl-1,4,9-triazaspiro[5.5]undecan-5-one
SMILESCN1CCN(CC2CC2)C(=O)C12CCN(c1cnccn1)CC2
InChIInChI=1S/C17H25N5O/c1-20-10-11-22(13-14-2-3-14)16(23)17(20)4-8-21(9-5-17)15-12-18-6-7-19-15/h6-7,12,14H,2-5,8-11,13H2,1H3
InChIKeyPEPJOYGIFUXFFC-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.00
Rot. Bonds3

About 4-(cyclopropylmethyl)-1-methyl-9-pyrazin-2-yl-1,4,9-triazaspiro[5.5]undecan-5-one

4-(cyclopropylmethyl)-1-methyl-9-pyrazin-2-yl-1,4,9-triazaspiro[5.5]undecan-5-one (PubChem CID 97398727) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is 4-(cyclopropylmethyl)-1-methyl-9-pyrazin-2-yl-1,4,9-triazaspiro[5.5]undecan-5-one.

Molecular Properties

Compound Name4-(cyclopropylmethyl)-1-methyl-9-pyrazin-2-yl-1,4,9-triazaspiro[5.5]undecan-5-one
PubChem CID97398727
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC Name4-(cyclopropylmethyl)-1-methyl-9-pyrazin-2-yl-1,4,9-triazaspiro[5.5]undecan-5-one
SMILESCN1CCN(CC2CC2)C(=O)C12CCN(c1cnccn1)CC2
InChIInChI=1S/C17H25N5O/c1-20-10-11-22(13-14-2-3-14)16(23)17(20)4-8-21(9-5-17)15-12-18-6-7-19-15/h6-7,12,14H,2-5,8-11,13H2,1H3
InChIKeyPEPJOYGIFUXFFC-UHFFFAOYSA-N
XLogP1.00
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethyl)-1-methyl-9-pyrazin-2-yl-1,4,9-triazaspiro[5.5]undecan-5-one?
The IUPAC name of 4-(cyclopropylmethyl)-1-methyl-9-pyrazin-2-yl-1,4,9-triazaspiro[5.5]undecan-5-one (CID 97398727) is 4-(cyclopropylmethyl)-1-methyl-9-pyrazin-2-yl-1,4,9-triazaspiro[5.5]undecan-5-one.
What is the SMILES notation for 4-(cyclopropylmethyl)-1-methyl-9-pyrazin-2-yl-1,4,9-triazaspiro[5.5]undecan-5-one?
The canonical SMILES for 4-(cyclopropylmethyl)-1-methyl-9-pyrazin-2-yl-1,4,9-triazaspiro[5.5]undecan-5-one is CN1CCN(CC2CC2)C(=O)C12CCN(c1cnccn1)CC2.
What is the InChIKey of 4-(cyclopropylmethyl)-1-methyl-9-pyrazin-2-yl-1,4,9-triazaspiro[5.5]undecan-5-one?
The InChIKey is PEPJOYGIFUXFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O/c1-20-10-11-22(13-14-2-3-14)16(23)17(20)4-8-21(9-5-17)15-12-18-6-7-19-15/h6-7,12,14H,2-5,8-11,13H2,1H3.
What are the key properties of 4-(cyclopropylmethyl)-1-methyl-9-pyrazin-2-yl-1,4,9-triazaspiro[5.5]undecan-5-one?
4-(cyclopropylmethyl)-1-methyl-9-pyrazin-2-yl-1,4,9-triazaspiro[5.5]undecan-5-one has a molecular weight of 315.42 g/mol, XLogP of 1.00, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethyl)-1-methyl-9-pyrazin-2-yl-1,4,9-triazaspiro[5.5]undecan-5-one is sourced from PubChem (CID 97398727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).